1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine

C12H12FN3 — CID 60818375

IUPAC1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCNC(c1cccc(F)c1)c1ncccn1
InChIInChI=1S/C12H12FN3/c1-14-11(12-15-6-3-7-16-12)9-4-2-5-10(13)8-9/h2-8,11,14H,1H3
InChIKeyGDAQJGVEKFYLSP-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.92
Rot. Bonds3

About 1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine

1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine (PubChem CID 60818375) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
PubChem CID60818375
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCNC(c1cccc(F)c1)c1ncccn1
InChIInChI=1S/C12H12FN3/c1-14-11(12-15-6-3-7-16-12)9-4-2-5-10(13)8-9/h2-8,11,14H,1H3
InChIKeyGDAQJGVEKFYLSP-UHFFFAOYSA-N
XLogP1.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
1-(3-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482464
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065221
1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115791802
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55085138
4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105092995
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 82769619
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114727953
1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791781

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine (CID 60818375) is 1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine is CNC(c1cccc(F)c1)c1ncccn1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The InChIKey is GDAQJGVEKFYLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-14-11(12-15-6-3-7-16-12)9-4-2-5-10(13)8-9/h2-8,11,14H,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine has a molecular weight of 217.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine is sourced from PubChem (CID 60818375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).